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Chemical ID: 7141126
Chemical ID:
7141126
Name [?]:
5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one
SMILES [?]:
COc1cc(ccc1O)C=C2C(=O)NC(=Nc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C21H16N2O3S/c1-26-18-11-13(9-10-17(18)24)12-19-20(25)23-21(27-19)22-16-8-4-6-14-5-2-3-7-15(14)16/h2-12,24H,1H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,24,19,26,20,23,18,6,7,4,10,5,21,22,17,8,3,11,12,15,16,14,9,13,2,27/rA:27nCOCCCCCCOCCCONCNCCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16N2O3S |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.82176 |
Area: | 576.129 |
Solvation: | -4.58148 |
Coulombic: | -53.3976 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 376.429 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.87 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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